3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol

C13H22N2O — CID 176820109

IUPAC3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol
SMILESCC(C)c1cn(C2CC(O)C2)nc1C(C)C
InChIInChI=1S/C13H22N2O/c1-8(2)12-7-15(10-5-11(16)6-10)14-13(12)9(3)4/h7-11,16H,5-6H2,1-4H3
InChIKeyWYQYTMKNFHRCKR-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.83
Rot. Bonds3

About 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol

3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol (PubChem CID 176820109) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol
PubChem CID176820109
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol
SMILESCC(C)c1cn(C2CC(O)C2)nc1C(C)C
InChIInChI=1S/C13H22N2O/c1-8(2)12-7-15(10-5-11(16)6-10)14-13(12)9(3)4/h7-11,16H,5-6H2,1-4H3
InChIKeyWYQYTMKNFHRCKR-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Fluoroethyl)-3,4-di(propan-2-yl)pyrazole
CID 117879852
2-[3-(Difluoromethyl)-1-ethylpyrazol-4-yl]-2-methylpentane-1,3-diol
CID 141407050
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol
CID 141407051
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol
CID 141407055
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]butane-1,3-diol
CID 141407056
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]hexane-1,3-diol
CID 141407057
2-[3-(Difluoromethyl)-1-ethylpyrazol-4-yl]pentane-1,3-diol
CID 141407058
2,2-Difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol
CID 146645478
2-Methyl-3-[4-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 168139783
1-Cyclobutyl-3-(2,2-difluoroethyl)-4-propan-2-ylpyrazole
CID 170175327
CID 174136424
CID 174136424
3-Cyclopropyl-1-[(3-methoxycyclobutyl)methyl]-4-(trifluoromethyl)pyrazole
CID 175828674

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol?
The IUPAC name of 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol (CID 176820109) is 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol is CC(C)c1cn(C2CC(O)C2)nc1C(C)C.
What is the InChIKey of 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol?
The InChIKey is WYQYTMKNFHRCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8(2)12-7-15(10-5-11(16)6-10)14-13(12)9(3)4/h7-11,16H,5-6H2,1-4H3.
What are the key properties of 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol?
3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-di(propan-2-yl)pyrazol-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 176820109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).